SCHEMBL7927256

SCHEMBL7927256

CCCC(=O)O[Ti](OC(=O)CCC)(OC(=O)CCC)C1C=Cc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.36
LMNA P02545 2/20 0.34
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
NLRP3 Q96P20 1/20 0.32
P2RX1 P51575 1/20 0.31
P2RX3 P56373 1/20 0.31
P2RX4 Q99571 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALOX15 P16050 1/20 0.31
POLB P06746 2/20 0.30
HTR6 P50406 1/20 0.30
MAPT P10636 1/20 0.30
SLC18A3 Q16572 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
SCHEMBL7919512 0.89 RET (0.36) RETLMNAALDH1A1SMN1; SMN2NLRP3
SCHEMBL7925610 0.89 RET (0.37) RETLMNAALDH1A1SMN1; SMN2P2RX1
SCHEMBL7919128 0.81 POLB (0.41) RETLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL3805975 0.78 RET (0.38) RETLMNAALDH1A1SMN1; SMN2NLRP3
SCHEMBL7925544 0.77 ELANE (0.33) LMNAALDH1A1MEN1KMT2APOLB
SCHEMBL7931030 0.77 RET (0.37) RETLMNASMN1; SMN2POLBHTR6
SCHEMBL7928317 0.76 POLB (0.34) MEN1KMT2APOLB
SCHEMBL7928436 0.75 LMNA (0.39) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7925031 0.74 THRB (0.32) HTR6
SCHEMBL7919144 0.74 ATM (0.31)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0867454-B1 POLYMERIZATION CATALYST AND PROCESS FOR PRODUCING POLYMERS IDEMITSU KOSAN CO (JP) 2001-03-21 EP disclosed
US-6075102-A Polymerization catalyst and process for producing polymers IDEMITSU KOSAN CO., LTD. (JP) 2000-06-13 US disclosed
EP-0867454-A1 POLYMERIZATION CATALYST AND PROCESS FOR PRODUCING POLYMERS IDEMITSU KOSAN COMPANY LIMITED (JP) 1998-09-30 EP disclosed