SCHEMBL107782

SCHEMBL107782

CCc1c(C)ccc(P(=O)(O)O)c1CC

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
PGK1 P00558 2/20 0.34
PGK2 P07205 2/20 0.34
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
FBP1 P09467 1/20 0.31
NPC1 O15118 3/20 0.31
POLB P06746 2/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PTK2B Q14289 1/20 0.31
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
RAB9A P51151 2/20 0.30
SRC P12931 1/20 0.30
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30
ALDH1A1 P00352 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18261808 0.82 PTK2B (0.37) CYP1A2CYP2D6PGK1PGK2NOS3
SCHEMBL18261805 0.82 GABRA1 (0.32) CYP1A2CYP2D6NPC1POLBCYP2C19
SCHEMBL7020614 0.80 POLB (0.38) NPC1POLBCYP2C19SMN1; SMN2PTK2B
SCHEMBL7882053 0.78 CYP2C19 (0.30) NPC1POLBCYP2C19SMN1; SMN2PTK2B
SCHEMBL8026516 0.78 SMN1; SMN2 (0.41) NPC1POLBCYP2C19SMN1; SMN2PTK2B
SCHEMBL6522247 0.78 MAPT (0.30) NPC1POLBCYP2C19SMN1; SMN2PTK2B
SCHEMBL2031068 0.78 CYP1A2 (0.33) CYP1A2CYP2D6FBP1NPC1POLB
SCHEMBL16461022 0.78 PGK1 (0.33) CYP1A2CYP2D6PGK1PGK2NPC1
SCHEMBL3481927 0.77
SCHEMBL18334415 0.76 FBP1 (0.37) CYP1A2CYP2D6PGK1PGK2NOS2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10550241-B2 Polytrimethylene terephthalate composition, polyester fiber, and methods for producing the same TEIJIN FRONTIER CO., LTD. (JP) 2020-02-04 US disclosed
EP-3249012-B1 POLYTRIMETHYLENE TEREPHTHALATE COMPOSITION, POLYESTER FIBERS, AND METHOD FOR PRODUCING SAME TEIJIN FRONTIER CO LTD (JP) 2019-08-21 EP disclosed
US-20180265667-A1 POLYTRIMETHYLENE TEREPHTHALATE COMPOSITION, POLYESTER FIBER, AND METHODS FOR PRODUCING THE SAME TEIJIN LIMITED (JP) 2018-09-20 US disclosed
US-10017629-B2 Polyethylene-2,6-naphthalate composition with excellent blow moldability, and molded product thereof TEIJIN LIMITED (JP) 2018-07-10 US disclosed
EP-3109271-B1 POLYETHYLENE-2,6-NAPHTHALATE COMPOSITION WITH EXCELLENT BLOW MOLDABILITY, AND MOLDED PRODUCT THEREOF TEIJIN LTD (JP) 2018-03-28 EP disclosed
EP-3249012-A1 POLYTRIMETHYLENE TEREPHTHALATE COMPOSITION, POLYESTER FIBERS, AND METHOD FOR PRODUCING SAME Teijin Limited (JP) 2017-11-29 EP disclosed
EP-3109271-A1 POLYETHYLENE-2,6-NAPHTHALATE COMPOSITION WITH EXCELLENT BLOW MOLDABILITY, AND MOLDED PRODUCT THEREOF Teijin Limited (JP) 2016-12-28 EP disclosed
US-20160347934-A1 POLYETHYLENE-2,6-NAPHTHALATE COMPOSITION WITH EXCELLENT BLOW MOLDABILITY, AND MOLDED PRODUCT THEREOF TEIJIN LIMITED (JP) 2016-12-01 US disclosed
WO-2012096538-A2 TIN-CENTERED DENDRIMER COMPOUND, AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING SAME 중앙대학교 산학협력단 (KR) 2012-07-19 WO disclosed
EP-2424929-A1 NUCLEATING AGENT AND THERMOPLASTIC COMPOSITIONS COMPRISING THE SAME Milliken & Company (US) 2012-03-07 EP disclosed
US-20120043692-A1 NUCLEATING AGENT AND THERMOPLASTIC COMPOSITIONS COMPRISING THE SAME CONNOR DANIEL M (US) 2012-02-23 US disclosed