SCHEMBL7326089

SCHEMBL7326089

CCOC(=O)C=C(C(C)=O)c1ccccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
KCNK3 O14649 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CTSS P25774 1/20 0.39
CTNNB1 P35222 1/20 0.39
WNT3A P56704 1/20 0.39
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
GALK1 P51570 1/20 0.38
CCR6 P51684 1/20 0.38
BLM P54132 1/20 0.38

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
SCHEMBL10376092 0.85 TSHR (0.47) TSHRLMNAGAAKCNK3KCNK9
SCHEMBL7314612 0.83 CHRNB2 (0.41) LMNAGAAKDM4EALDH1A1MAOA
SCHEMBL6695536 0.82 LMNA (0.44) TSHRLMNAGAAKCNK3KCNK9
SCHEMBL6695539 0.82 LMNA (0.44) TSHRLMNAGAAKCNK3KCNK9
SCHEMBL7316268 0.81 LMNA (0.47) LMNAGAAKCNK3KCNK9ALDH1A1
SCHEMBL1994129 0.77 TSHR (0.67) TSHRLMNAGAAKCNK3KCNK9
SCHEMBL7321849 0.76 SLC6A2 (0.39) LMNAGAAKDM4EMAOBNPSR1
SCHEMBL7314178 0.76 APP (0.46) KDM4E
SCHEMBL18339767 0.76 MAPT (0.49) TSHRLMNAGAAKDM4EALDH1A1
SCHEMBL10399182 0.76 LMNA (0.41) TSHRLMNAGAAKCNK3KCNK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0183848-B1 POLYAZAHETEROCYCLIC DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITION Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1990-09-12 EP disclosed
US-4918074-A CALCIUM ANTAGONISTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1990-04-17 US disclosed
EP-0217142-A2 A polyazaheterocyclic compound Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1987-04-08 EP disclosed
EP-0183848-A1 POLYAZAHETEROCYCLIC DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITION Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1986-06-11 EP disclosed