SCHEMBL11616008

SCHEMBL11616008

[CH]=C(Cl)C(O)C(C)(C)Oc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PPARA Q07869 3/20 0.33
▸ PPARG P37231 3/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CA4 P22748 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ CNR1 P21554 1/20 0.30
▸ CNR2 P34972 1/20 0.30
▸ RIPK1 Q13546 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
SCHEMBL11610467 0.83 CASR (0.35) CYP2D6PPARAPPARGMEN1CYP1A2
SCHEMBL11614514 0.82 OGG1 (0.38) L3MBTL1KMT2ACNR1CNR2
SCHEMBL11628654 0.81 CETP (0.40) LMNA
SCHEMBL11663267 0.75 LMNA (0.45) LMNACYP2D6ATML3MBTL1PPARG
SCHEMBL11516559 0.73 LMNA (0.36) LMNACYP2D6ATML3MBTL1PPARA
SCHEMBL13815444 0.70 LMNA (0.41) LMNACYP2D6ATML3MBTL1PPARA
SCHEMBL17877182 0.70 MAPK1 (0.41) LMNACYP2D6ATML3MBTL1PPARG
SCHEMBL11611192 0.69 LMNA (0.40) LMNACYP2D6ATML3MBTL1PPARA
SCHEMBL27809459 0.67 CA4 (0.37) LMNACYP2D6ATML3MBTL1PPARG
SCHEMBL421713 0.66 CA4 (0.40) LMNACYP2D6ATML3MBTL1PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4122282-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-10-24 — — US disclosed
US-4107191-A PROSTAGLANDINS, BLOOD PRESSURE LOWERING, LABOR INDUCTION, REPRODUCTIVE-CYCLE REGULATION, GASTRIC ANTISECRETORY THE UPJOHN COMPANY (US) 1978-08-15 — — US disclosed
US-4104474-A PROSTAGLANDINS, HYPOTENSIVE, OXYTOCICS, ANTIFERTILITY, ANTISECRETORY THE UPJOHN COMPANY (US) 1978-08-01 — — US disclosed
US-4099015-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-07-04 — — US disclosed
US-4086258-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-04-25 — — 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-4058564-A PROSTAGLANDINS; HYPOTENSIVE, LABOR INDUCERS, ANTISECRETORY THE UPJOHN COMPANY (US) 1977-11-15 — — US disclosed
US-4018803-A 13,14-Didehydro-PG3 compounds THE UPJOHN COMPANY (US) 1977-04-19 — — US disclosed
Send feedback