SCHEMBL6288908

SCHEMBL6288908

C=Cc1cccc(OCC(C)C(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
TP53 P04637 2/20 0.42
LMNA P02545 2/20 0.40
MAPK1 P28482 2/20 0.40
TSHR P16473 1/20 0.40
HIF1A Q16665 1/20 0.40
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
KDM4E B2RXH2 3/20 0.37
MAOA P21397 3/20 0.37
MAOB P27338 3/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 1/20 0.37
NPC1 O15118 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL411729 0.87 TDP1 (0.44) TDP1TP53LMNAMAPK1TSHR
SCHEMBL6425705 0.83 TSHR (0.42) TDP1TP53LMNAMAPK1TSHR
SCHEMBL6283924 0.83 GPBAR1 (0.47) TDP1TP53LMNAMAPK1TSHR
SCHEMBL17138185 0.82 TSHR (0.49) LMNAMAPK1TSHRHIF1AADRB2
SCHEMBL6279897 0.81 TDP1 (0.42) TDP1TP53LMNAMAPK1TSHR
SCHEMBL28733949 0.80 ADRB2 (0.39) TDP1TP53LMNAMAPK1TSHR
SCHEMBL6281442 0.80 HIF1A (0.40) TDP1TP53LMNAMAPK1TSHR
SCHEMBL14307426 0.80 HDAC4 (0.42) TDP1TP53MAPK1TSHRHIF1A
SCHEMBL6287551 0.80 CHRNB2 (0.47) TDP1TP53LMNAMAPK1KDM4E
SCHEMBL412110 0.78 KMT2A (0.50) TDP1TP53TSHRKDM4EALDH1A1

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
US-6900273-B1 Low-hygroscopicity low-birefringence resin compositions, molding material obtained therefrom, sheet or film, and optical part HITACHI CHEMICAL CO., LTD. (JP) 2005-05-31 US disclosed
US-20040220342-A1 Low-hygroscopicity low-birefringence resin compositions, molding material, sheet or film obtained therefrom, and optical part YAMASHITA YUKIHIKO (JP) 2004-11-04 US disclosed
EP-1205517-A1 LOW-HYGROSCOPICITY LOW-BIREFRINGENCE RESIN COMPOSITIONS, MOLDING MATERIAL OBTAINED THEREFROM, SHEET OR FILM, AND OPTICAL PART HITACHI CHEMICAL COMPANY, LTD. (JP) 2002-05-15 EP disclosed