SCHEMBL11517656

SCHEMBL11517656

[CH2]CC(O)C(C)(C)Cc1cccc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ PNMT P11086 2/20 0.44
▸ HTR3E A5X5Y0 3/20 0.42
▸ HTR3B O95264 3/20 0.42
▸ HTR3A P46098 3/20 0.42
▸ HTR3D Q70Z44 3/20 0.42
▸ HTR3C Q8WXA8 3/20 0.42
▸ RIPK1 Q13546 1/20 0.40
▸ TAAR1 Q96RJ0 4/20 0.39
▸ TRPA1 O75762 1/20 0.39
▸ ENPP2 Q13822 1/20 0.38
▸ KIF11 P52732 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 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
SCHEMBL11613112 0.81 HTR3E (0.42) TSHRRECQLPNMTHTR3EHTR3B
SCHEMBL11616261 0.80 TRPA1 (0.59) RECQLRIPK1TAAR1TRPA1
SCHEMBL11662794 0.79 PNMT (0.41) TSHRRECQLPNMTHTR3EHTR3B
SCHEMBL11614193 0.79 HTR2A (0.49) TAAR1
SCHEMBL11614808 0.77 PNMT (0.46) TSHRRECQLPNMTHTR3EHTR3B
SCHEMBL11613482 0.77 TSHR (0.43) TSHRRECQLPNMTHTR3EHTR3B
SCHEMBL8324906 0.74 MAOB (0.52) TSHRRECQLPNMTHTR3EHTR3B
SCHEMBL73643 0.74 PNMT (0.54) TSHRRECQLPNMTHTR3EHTR3B
SCHEMBL11659390 0.73 HTR3E (0.44) TSHRRECQLPNMTHTR3EHTR3B
SCHEMBL28477012 0.73 PNMT (0.48) TSHRRECQLPNMTHTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE29926-E 2-Decarboxy-2-hydroxy-methyl-16-fluoro-PGE1 compounds THE UPJOHN COMPANY (US) 1979-03-06 — — US disclosed
US-4122282-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-10-24 — — US disclosed
US-4099014-A BLOOD PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1978-07-04 — — US disclosed
US-4085139-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-04-18 — — US disclosed
US-4081478-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-03-28 — — US disclosed
US-4073808-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-02-14 — — US disclosed
US-4033989-A 9-Deoxy-PGF2 Analogs THE UPJOHN COMPANY (US) 1977-07-05 — — US disclosed
US-4016184-A PROSTAGLANDINS, BLOOD PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1977-04-05 — — US disclosed
Send feedback